CHEBI:27530 - 4-hydroxy-2-oxohexanoic acid

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ChEBI Name 4-hydroxy-2-oxohexanoic acid
ChEBI ID CHEBI:27530
Definition A hydroxy- and oxo- fatty acid comprising hexanoic acid substituted at C-2 and C-4 with oxo and hydroxy groups respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1839, CHEBI:20376
Supplier Information
Download Molfile XML SDF
Formula C6H10O4
Net Charge 0
Average Mass 146.14120
Monoisotopic Mass 146.05791
InChI InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)
InChIKey ALFQPWXBAWHVDP-UHFFFAOYSA-N
SMILES CCC(O)CC(=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-hydroxy-2-oxohexanoic acid (CHEBI:27530) has functional parent hexanoic acid (CHEBI:30776)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is a 2-oxo monocarboxylic acid (CHEBI:35910)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is a 4-hydroxy monocarboxylic acid (CHEBI:35970)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is a hydroxy fatty acid (CHEBI:24654)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is a oxo fatty acid (CHEBI:59644)
4-hydroxy-2-oxohexanoic acid (CHEBI:27530) is conjugate acid of 4-hydroxy-2-oxohexanoate (CHEBI:53800)
Incoming (S)-4-hydroxy-2-oxohexanoic acid (CHEBI:73151) is a 4-hydroxy-2-oxohexanoic acid (CHEBI:27530)
4-hydroxy-2-oxohexanoate (CHEBI:53800) is conjugate base of 4-hydroxy-2-oxohexanoic acid (CHEBI:27530)
IUPAC Name
4-hydroxy-2-oxohexanoic acid
Synonyms Sources
2-Oxo-4-hydroxycapronsäure ChEBI
4-hydroxy-2-oxocaproic acid ChEBI
4-Hydroxy-2-oxohexanoate KEGG COMPOUND
4-Hydroxy-2-oxohexanoic acid KEGG COMPOUND
Manual Xrefs Databases
C06762 KEGG COMPOUND
LMFA01050343 LIPID MAPS
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Registry Number Type Source
2637006 Reaxys Registry Number Reaxys
Last Modified
28 July 2014